N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide

C8H18N4O3S — CID 104985761

IUPACN'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide
SMILESNC(=NO)C1(NS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C8H18N4O3S/c9-7(11-13)8(12-16(10,14)15)5-3-1-2-4-6-8/h12-13H,1-6H2,(H2,9,11)(H2,10,14,15)
InChIKeySZPZSFXVKPOMGB-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.38
Rot. Bonds3

About N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide

N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 104985761) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID104985761
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide
SMILESNC(=NO)C1(NS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C8H18N4O3S/c9-7(11-13)8(12-16(10,14)15)5-3-1-2-4-6-8/h12-13H,1-6H2,(H2,9,11)(H2,10,14,15)
InChIKeySZPZSFXVKPOMGB-UHFFFAOYSA-N
XLogP-0.38
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide (CID 104985761) is N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide is NC(=NO)C1(NS(N)(=O)=O)CCCCCC1.
What is the InChIKey of N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is SZPZSFXVKPOMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c9-7(11-13)8(12-16(10,14)15)5-3-1-2-4-6-8/h12-13H,1-6H2,(H2,9,11)(H2,10,14,15).
What are the key properties of N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide?
N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 250.32 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide is sourced from PubChem (CID 104985761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).